SCHEMBL7115407

SCHEMBL7115407

Nc1cccc(Cc2c(Cl)c(Cl)cc(Oc3cc(Cl)c(Cl)c(Cc4cccc(N)c4)c3Cl)c2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38
CYP19A1 P11511 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 1/20 0.33
ENPP1 P22413 1/20 0.33
CYP3A4 P08684 2/20 0.33
AKR1B1 P15121 1/20 0.33
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
BPTF Q12830 1/20 0.32
PARP1 P09874 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7113934 0.76 TSHR (0.50) CYP19A1ALDH1A1
SCHEMBL30583096 0.70 MAOB (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL49433 0.70 MAOB (0.62) MAOBMAOACYP19A1CA1CA2
Hydrochloric Acid SCHEMBL10936113 0.68 MAOB (0.64) MAOBMAOACYP19A1CA1CA2
SCHEMBL9719335 0.68 MAOB (0.60) MAOBMAOACYP19A1CA1CA2
Hydrochloric Acid SCHEMBL8644377 0.68 MAOB (0.64) MAOBMAOACYP19A1CA1CA2
SCHEMBL7115400 0.67 MRGPRX4 (0.63) MRGPRX4MAOBMAOA
SCHEMBL9719373 0.66 CA1 (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL30324526 0.66 CA1 (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL3482569 0.66 CA1 (0.62) MAOBMAOACYP19A1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203908-A1 Dihydrofolate reductase inhibitors ISIS INNOVATION LIMITED (GB) 2003-10-30 US disclosed
WO-2001053276-A1 DIHYDROFOLATE REDUCTASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2001-07-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030203908-A1 Dihydrofolate reductase inhibitors DHFR, CBR1, GRHPR MRGPRX4 2858/4885MAOB 85/4885MAOA 319/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.